Geometry & MOs

Info

ID:	414245
PubChem CID:	135087201
Reduced:	OSN4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	405.141008
ΔH_f, kcal/mol:	9.91
Dipole, Da:	1.68
IP(EA), eV:	-8.88(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[(2-fluorophenyl)methylsulfonyl]-8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CN2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3)C

DOS

IR

Vibrations